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| CAS No.: | 18409-20-6 |
|---|---|
| Name: | 2,4-OCTADIEN-1-OL |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H14O |
| Molecular Weight: | 126.199 |
| Synonyms: | 2,4-Octadien-1-ol,(E,E)- (8CI);(2E,4E)-2,4-Octadien-1-ol;trans-2,4-Octadienol; |
| EINECS: | 242-290-3 |
| Density: | 0.868 g/cm3 |
| Boiling Point: | 198 °C at 760 mmHg |
| Flash Point: | 80 °C |
| Appearance: | Colorless Liquid |
| PSA: | 20.23000 |
| LogP: | 1.89120 |
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Specification
The 2,4-Octadien-1-ol,(2E,4E)- is an organic compound with the formula C8H14O. The IUPAC name of this chemical is (2E,4E)-octa-2,4-dien-1-ol. With the CAS registry number 18409-20-6, it is also named as (E,E)-2,4-Octadien-1-ol. The product's category is Alcohol Flavor.
Physical properties about 2,4-Octadien-1-ol,(2E,4E)- are: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 2.3; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 32.92; (5)ACD/BCF (pH 7.4): 32.92; (6)ACD/KOC (pH 5.5): 424.41; (7)ACD/KOC (pH 7.4): 424.41; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 40.76 cm3; (14)Molar Volume: 145.3 cm3; (15)Polarizability: 16.15×10-24cm3; (16)Surface Tension: 30.5 dyne/cm; (17)Density: 0.868 g/cm3; (18)Flash Point: 80 °C; (19)Enthalpy of Vaporization: 50.52 kJ/mol; (20)Boiling Point: 198 °C at 760 mmHg; (21)Vapour Pressure: 0.0933 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC\C=C\C=C\CCC
(2)InChI: InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6+
(3)InChIKey: LMBAOEUOOJDUBP-YTXTXJHMBM
(4)Std. InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6+
(5)Std. InChIKey: LMBAOEUOOJDUBP-YTXTXJHMSA-N